N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C23H19N7OS — CID 41351550

IUPACN-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nc4ncccn4n3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N7OS/c1-16-8-10-17(11-9-16)19-14-20(30(27-19)18-6-3-2-4-7-18)25-21(31)15-32-23-26-22-24-12-5-13-29(22)28-23/h2-14H,15H2,1H3,(H,25,31)
InChIKeySYNVLJUUUBZKLL-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.02
Rot. Bonds6

About N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 41351550) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID41351550
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC NameN-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nc4ncccn4n3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N7OS/c1-16-8-10-17(11-9-16)19-14-20(30(27-19)18-6-3-2-4-7-18)25-21(31)15-32-23-26-22-24-12-5-13-29(22)28-23/h2-14H,15H2,1H3,(H,25,31)
InChIKeySYNVLJUUUBZKLL-UHFFFAOYSA-N
XLogP4.02
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 47773911
N-(6-methyl-1,3-benzothiazol-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 24578579
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591647
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 42976671
N-(5-fluoro-2-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130890
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 4538606
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
N-[2-(cyanomethylsulfanyl)phenyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351979
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985543
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30194136

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 41351550) is N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is Cc1ccc(-c2cc(NC(=O)CSc3nc4ncccn4n3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is SYNVLJUUUBZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-16-8-10-17(11-9-16)19-14-20(30(27-19)18-6-3-2-4-7-18)25-21(31)15-32-23-26-22-24-12-5-13-29(22)28-23/h2-14H,15H2,1H3,(H,25,31).
What are the key properties of N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 441.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 41351550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).